7-[(4-ethylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(4-ethylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(4-ethylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-4037 |
| Compound Name: | 7-[(4-ethylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | CCc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCN(C)CC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2685 |
| logD: | 1.0487 |
| logSw: | -2.8231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.276 |
| InChI Key: | LBULRNYUNNBHTE-UHFFFAOYSA-N |